The utilization of activated carbon as an efficient adsorbent is well-established, driven by its porous structure and expansive surface area. This study investigates the potential of Cassia fistula (Golden shower) as a precursor for activated carbon synthesis using K2CO3 activation, leveraging its organic properties known for high porosity and adsorption capacity. This research aims to investigate the feasibility of utilizing Cassia fistula-derived activated carbon (GSAC) for isoniazid removal from water. The study encompasses a two-step activation process—chemical and physical—with varying parameters to optimize surface area and porosity. The carbonization process involves hydrothermal and pyrolysis techniques with controlled conditions. The temperature used in this study is based on the TGA analysis to examine its thermal stability. Batch experiments examine the adsorption equilibrium and kinetics of isoniazid onto GSAC samples, revealing high adsorption capacity and rapid equilibrium attainment by GSAC 1:1 (700°C). The study culminates in the identification of a strong chemical bond between GSAC and isoniazid, implying efficient adsorption potential as confirmed by FTIR and SEM analysis before and after adsorption. The adsorption characteristic is examined with an isotherm and kinetic model. The highest predicted GSAC capacity reaches 219,807 mg/g, emphasizing its promising adsorption capabilities. This work underscores Cassia fistula-based activated carbon as a viable, cost-effective, and eco-friendly adsorbent for isoniazid removal, with implications for diverse applications. The synthesis process parameters, activation methods, and insights into the adsorption mechanism contribute to the understanding of effective adsorbent production and enhance the potential of activated carbon for various industrial contexts.